| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 15 | Yes |
Popular Name: 2-(3,4-dihydroisoquinolin-2(1H)-yl)butan-1-amine 2-(3,4-dihydroisoquinolin-2(1H)-…
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CAS Number: 954578-49-5
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.40 | 4.16 | -42 | 3 | 2 | 1 | 31 | 205.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 6.16 | -30.13 | 3 | 2 | 1 | 30 | 205.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 5.87 | -123.75 | 4 | 2 | 2 | 32 | 206.333 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
